6TPN

Crystal structure of the Orexin-2 receptor in complex with HTL6641 at 2.61 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.96863
Spacegroup name	C 2 2 21
Unit cell lengths	90.945, 173.950, 78.327
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.475 - 2.608
R-factor	0.2158
Rwork	0.214
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wqc
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.488	2.794
High resolution limit [Å]	2.608	2.608
Number of reflections	11699	4223
<I/σ(I)>	5.9
Completeness [%]	91.6
Redundancy	8.3
CC(1/2)	0.996	0.426

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	100 mM trisodium citrate buffer 150-300 mM lithium nitrate or 150-300 mM potassium nitrate 28-43 % (v/v) polyethylene glycol 400